SCHEMBL31539675

SCHEMBL31539675

COC(=O)C1CCN(c2nn([C@@H](C)CCO[Si](C)(C)C(C)(C)C)c3cc(Cl)ncc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ATR Q13535 2/20 0.33
▸ ATRIP Q8WXE1 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NEK2 P51955 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ ACACB O00763 3/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ TMPRSS15 P98073 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ NSD2 O96028 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25171407 0.84 — —
SCHEMBL25461869 0.76 DGAT1 (0.30) DGAT1
SCHEMBL25167214 0.75 — —
SCHEMBL25167215 0.75 — —
SCHEMBL25168256 0.75 — —
SCHEMBL31539631 0.75 — —
SCHEMBL30142441 0.75 — —
SCHEMBL25167213 0.75 — —
SCHEMBL25167212 0.75 — —
SCHEMBL31539641 0.73 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684317-A Macrocyclic compound and application thereof 郑州德迈药业有限公司 2025-03-25 — — CN disclosed
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